Glycoside
...
GD000518

Name:
None

Formula:
C45H80O16N2

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@H](C)[C@H](OC(=O)CCNC(=O)OC(C)(C)C)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(OC(=O)CCNC(=O)OC(C)(C)C)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 5 FractionCSP3: 0.91
AlogP: 3.25 Num_rotatable_bonds: 11
MolWt: 905.13 Num_heavy_atoms: 63
TPSA: 238.31 NumAromaticRings: 0

Unique Aglycone
AD00573
Formula: C37H66O13N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(OC(=O)CCNC(=O)OC(C)(C)C)C1(C)O
HBA: 15 RingCount: 2
HBD: 5 FractionCSP3: 0.89
AlogP: 2.33 Num_rotatable_bonds: 8
MolWt: 746.94 Num_heavy_atoms: 52
TPSA: 210.62 NumAromaticRings: 0

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O